- InChI
- InChI=1S/C14H26O4/c1-4-5-6-7-9-17-13(15)11-14(16)18-10-8-12(2)3/h12H,4-11H2,1-3H3
- InChI Key
- CQHUHTAEYNZUPW-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCCOC(=O)CC(=O)OCCC(C)C
- Molecular Weight1
- 258.36
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7897 | Relay (1.0) Calculated Property | |
| ΔfG° | -556.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -972.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.089 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [1699.00; 1699.00] |
|
|
| Inp | 1699.00 | NIST | |
| Inp | 1699.00 | NIST | |
| Tboil | 555.25 | K | Relay (1.0) Calculated Property |
| Tc | 729.62 | K | Relay (1.0) Calculated Property |
| Tfus | 200.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.852 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [608.90; 695.06] | J/mol×K | [635.92; 809.38] |
|
| Cp,gas | 608.90 | J/mol×K | 635.92 | Joback Calculated Property |
| Cp,gas | 625.21 | J/mol×K | 664.83 | Joback Calculated Property |
| Cp,gas | 640.73 | J/mol×K | 693.74 | Joback Calculated Property |
| Cp,gas | 655.47 | J/mol×K | 722.65 | Joback Calculated Property |
| Cp,gas | 669.43 | J/mol×K | 751.56 | Joback Calculated Property |
| Cp,gas | 682.63 | J/mol×K | 780.47 | Joback Calculated Property |
| Cp,gas | 695.06 | J/mol×K | 809.38 | Joback Calculated Property |
| η | [0.0000919; 0.0043804] | Pa×s | [317.20; 635.92] |
|
| η | 0.0043804 | Pa×s | 317.20 | Joback Calculated Property |
| η | 0.0014492 | Pa×s | 370.32 | Joback Calculated Property |
| η | 0.0006328 | Pa×s | 423.44 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 476.56 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 529.68 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 582.80 | Joback Calculated Property |
| η | 0.0000919 | Pa×s | 635.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, hexyl 3-methylbutyl ester.
Sources
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